1380288-87-8

Basic information

• Product Name: (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol
• Synonyms: (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol;9-[5-Deoxy-5-[[cis-3-[2-[6-(1,1-diMethylethyl)-1H-benziMidazol-2-yl]ethyl]cyclobutyl](1-Methylethyl)aMino]-β-D-ribofuranosyl]-9H-purin-6-aMine;9-[5-Deoxy-5-[[cis-3-[2-[6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl](1-methylethyl)amino]-beta-D-ribofuranosyl]-9H-purin-6-amine;EP25676;9H-Purin-6-amine, 9-[5-deoxy-5-[[cis-3-[2-[6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl](1-methylethyl)amino]-β-D-ribofuranosyl]-;9-[5-Deoxy-5-[[cis-3-[2-[6-(1,1-diMethylethyl)-1H-benziMidazol-2-yl]ethyl]cyclobutyl](1-Methylethyl)aMino]-β-D-ribofuranosyl]-9H-purin-6-aMine EPZ-5676;EPZ5676, >=98%;EPZ-5676,Pinometostat
• CAS NO: 1380288-87-8
• Molecular Formula: C30H42N8O3
• Molecular Weight: 562.70628
• EINECS: -0
• Product Categories: Inhibitors
• Mol File: 1380288-87-8.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 835.3±75.0 °C(Predicted)
• Appearance: /
• Density: 1.45±0.1 g/cm3(Predicted)
• Solubility: ≥28.15 mg/mL in DMSO; insoluble in H2O; ≥50.3 mg/mL in EtOH with ultrasonic
• PKA: 12.34±0.10(Predicted)
• CAS DataBase Reference: (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol(CAS DataBase Reference)
• NIST Chemistry Reference: (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol(1380288-87-8)
• EPA Substance Registry System: (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol(1380288-87-8)

Safety Data

• Hazardous Substances Data: 1380288-87-8(Hazardous Substances Data)

Usage

Description

(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((1R,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol is a complex organic compound with a unique molecular structure. It is characterized by its tetrahydrofuran-3,4-diol core, which is substituted with various functional groups, including an isopropyl amine and a cyclobutyl group. The compound also features a 6-amino-9H-purin-9-yl group, which is a key structural element in many biologically active molecules.

Uses

Used in Pharmaceutical Industry:
(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((1R,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol is used as an adenosine anticancer agent for its potential therapeutic effects against various types of cancer. The compound's unique structure allows it to interact with specific cellular targets, modulating key signaling pathways and inhibiting tumor growth.
Additionally, the compound can be used as an antibiotic analogue, leveraging its structural similarities to adenosine to target and disrupt bacterial processes, potentially leading to the development of new antibiotics with novel mechanisms of action.
Used in Research and Development:
In the field of research and development, this compound can serve as a valuable tool for studying the structure-activity relationships of adenosine-based drugs. Its unique functional groups and structural features can provide insights into the design and optimization of new therapeutic agents with improved efficacy and selectivity.
Used in Drug Delivery Systems:
Similar to gallotannin, this compound may also benefit from the development of novel drug delivery systems to enhance its bioavailability, delivery, and therapeutic outcomes. By employing various organic and metallic nanoparticles as carriers, the compound's efficacy against target cells can be improved, potentially leading to more effective treatments for various diseases.

Biological Activity

epz5676 is a potent inhibitor of dot1l histone methyltransferase, according to x-ray crystallographic analysis, that occupies the s-adenosyl methionine (sam) binding pocket of dot1l and induces conformational changes in dot1l resulting in the opening of a hydrophobic pocket beyond the amino acid portion of sam. epz5676 selectively inhibits dotil with a value of 50% inhibition concentration ic50 of 0.8 nm, which is 37000-fold greater in selectivity than other methyltransferases, including carm1, ehmt1/2, ezh1/2, prmt1/2/5/6/8, setd7, smyd2/3, and whsc1/1l1. epz5676 has been investigated for the treatment of mll-rearranged leukemia in multiple studies where results have shown that epz5676 inhibits h3k79 methylation and the expression of mll-fusion target gene and potently kills acute leukemia cell lines bearing mll translocation.daigle sr, olhava ej, therkelsen ca, basavapathruni a, jin l, boriack-sjodin pa, allain cj, klaus cr, raimondi a, scott mp, waters nj, chesworth r, moyer mp, copeland ra, richon vm, pollock rm. potent inhibition of dot1l as treatment of mll-fusion leukemia. blood. 2013 aug 8;122(6):1017-1025.